Geometry & MOs

Info

ID:	330543
PubChem CID:	127247950
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	4.21
IP(EA), eV:	-9.33(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-N-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)C(=O)C2=NNC(=C2)C(C)(C)C

DOS

IR

Vibrations