Geometry & MOs

Info

ID:	416065
PubChem CID:	135089070
Reduced:	N3C10H14 (2)
Stoich.:	A3B10C14 (2)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	43.9
Dipole, Da:	2.38
IP(EA), eV:	-8.63(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,6-dimethylpyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations