Geometry & MOs

Info

ID:	342425
PubChem CID:	127265267
Reduced:	FN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-0.82
Dipole, Da:	2.05
IP(EA), eV:	-9.22(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl]-3-[4-(methoxymethyl)phenyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN(C)CC2=NC=CN2)F

DOS

IR

Vibrations