Geometry & MOs

Info

ID:	26809
PubChem CID:	798635
Reduced:	O3N6C15H16 (1)
Stoich.:	A3B6C15D16 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	7.52
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(5-tert-butyl-2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations