Geometry & MOs

Info

ID:	330544
PubChem CID:	127247951
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	2.4
IP(EA), eV:	-9.26(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-[(1-butyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CCC(=O)N2CCN(CC(C2)C(=O)NC)C(=O)C

DOS

IR

Vibrations