Geometry & MOs

Info

ID:	365168
PubChem CID:	127316972
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	389.315461
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	5.05
IP(EA), eV:	-8.67(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2CCCC2C(=O)NC3CC3)C(C)(C)C

DOS

IR

Vibrations