Geometry & MOs

Info

ID:	423897
PubChem CID:	135120675
Reduced:	N5O7C38H47 (1)
Stoich.:	A5B7C38D47 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-249.94
Dipole, Da:	4.47
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-[[3-(dimethylamino)pyrazin-2-yl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)OC)O

DOS

IR

Vibrations