Geometry & MOs

Info

ID:	159978
PubChem CID:	57304264
Reduced:	O4N7C36H57 (1)
Stoich.:	A4B7C36D57 (1)
Weight, g/mol:	174.104465
ΔH_f, kcal/mol:	-165.31
Dipole, Da:	0.9
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropylmethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)CC[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CN(C=N2)C(=O)[C@H](CC3=CC=CC=C3)N)N(C)C(=O)N4CCN(CC4)C)O

DOS

IR

Vibrations