Geometry & MOs

Info

ID:	422823
PubChem CID:	135118477
Reduced:	N7O8C33H47 (1)
Stoich.:	A7B8C33D47 (1)
Weight, g/mol:	336.206245
ΔH_f, kcal/mol:	-365.76
Dipole, Da:	9.95
IP(EA), eV:	-9.25(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H]3CCC(=O)N3)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations