Geometry & MOs

Info

ID:	129066
PubChem CID:	51068702
Reduced:	N3O4C30H31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	397.284161
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	8.39
IP(EA), eV:	-9.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-1-[[5-(dimethylamino)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-3-propylurea

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2CC2)C(=O)C3=CC(=CC=C3)OC)OC4=CC=CC(=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations