Geometry & MOs

Info

ID:	209176
PubChem CID:	80634752
Reduced:	SN3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	11.33
Dipole, Da:	3.7
IP(EA), eV:	-8.33(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-yl]-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CC1CSCCN1C2=NC=C(C=C2)CC(C)N

DOS

IR

Vibrations