Geometry & MOs

Info

ID:	422826
PubChem CID:	135118480
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	354.183795
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	5.5
IP(EA), eV:	-9.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrazin-2-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NOC(=C2)CN3CC[C@@H]([C@@](C3)(CC4=CC=CC=C4)C(=O)O)O

DOS

IR

Vibrations