Geometry & MOs

Info

ID:	418975
PubChem CID:	135107240
Reduced:	ON6C22H30 (1)
Stoich.:	AB6C22D30 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	31.19
Dipole, Da:	6.12
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[4-(6-methoxypyridine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N(CCN(C)C)CC3=CN=C(N3)C

DOS

IR

Vibrations