Geometry & MOs

Info

ID:	423138
PubChem CID:	135118988
Reduced:	ClN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	70.58
Dipole, Da:	3.19
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NC(C2CC2)C3=NC=CN3C)Cl

DOS

IR

Vibrations